smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1csc(N2CCOCC2)n1 ZINC000012803028 1066415902 /nfs/dbraw/zinc/41/59/02/1066415902.db2.gz NFDWVGMGLZISBP-UHFFFAOYSA-N -1 0 500.002 1.492 20 0 KDADRM O=C([N-]NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1csc(N2CCOCC2)n1 ZINC000022063196 1066203546 /nfs/dbraw/zinc/20/35/46/1066203546.db2.gz CFQDAJBORGQYSR-UHFFFAOYSA-N -1 0 500.002 1.492 20 0 KDADRM CSc1ncc(Cl)c(C(=O)[N-]NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000029459941 1066343252 /nfs/dbraw/zinc/34/32/52/1066343252.db2.gz ZYJYCJULFVQYRA-UHFFFAOYSA-N -1 0 500.002 1.267 20 0 KDADRM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)c1 ZINC000514295581 1066234414 /nfs/dbraw/zinc/23/44/14/1066234414.db2.gz CLJXWJIDZNXEPY-UHFFFAOYSA-N -1 0 556.615 1.869 20 0 KDADRM CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000514295914 1066233843 /nfs/dbraw/zinc/23/38/43/1066233843.db2.gz GMOKLNHECYHBRH-UHFFFAOYSA-N -1 0 518.013 1.920 20 0 KDADRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 ZINC000514296130 1066232474 /nfs/dbraw/zinc/23/24/74/1066232474.db2.gz GKJXXHJNPARWGF-KRWDZBQOSA-N -1 0 539.632 1.886 20 0 KDADRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 ZINC000514296134 1066232404 /nfs/dbraw/zinc/23/24/04/1066232404.db2.gz GKJXXHJNPARWGF-QGZVFWFLSA-N -1 0 539.632 1.886 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C(=O)OC)c1C ZINC000514296314 1066240959 /nfs/dbraw/zinc/24/09/59/1066240959.db2.gz JQFHIXWQGFDGOV-HNNXBMFYSA-N -1 0 587.698 1.607 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C(=O)OC)c1C ZINC000514296322 1066240919 /nfs/dbraw/zinc/24/09/19/1066240919.db2.gz JQFHIXWQGFDGOV-OAHLLOKOSA-N -1 0 587.698 1.607 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)cc1 ZINC000514296800 1066238362 /nfs/dbraw/zinc/23/83/62/1066238362.db2.gz KTELELFOBJVMRT-INIZCTEOSA-N -1 0 519.667 1.831 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N[C@H](C)COC)cc2)cc1 ZINC000514296807 1066237549 /nfs/dbraw/zinc/23/75/49/1066237549.db2.gz KTELELFOBJVMRT-MRXNPFEDSA-N -1 0 519.667 1.831 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 ZINC000514297142 1066236298 /nfs/dbraw/zinc/23/62/98/1066236298.db2.gz NYMGSICQMFJJFF-UHFFFAOYSA-N -1 0 533.650 1.244 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OC)c1C ZINC000514298083 1066243743 /nfs/dbraw/zinc/24/37/43/1066243743.db2.gz UOCVJEFAIPAMMV-UHFFFAOYSA-N -1 0 518.591 1.451 20 0 KDADRM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000514298190 1066241602 /nfs/dbraw/zinc/24/16/02/1066241602.db2.gz WJTMGERDBXDISQ-UHFFFAOYSA-N -1 0 561.704 1.938 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514298202 1066241869 /nfs/dbraw/zinc/24/18/69/1066241869.db2.gz WUCCWSNZMQCITA-UHFFFAOYSA-N -1 0 517.651 1.539 20 0 KDADRM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514298208 1066241905 /nfs/dbraw/zinc/24/19/05/1066241905.db2.gz WUTANSIYBZYGGH-UHFFFAOYSA-N -1 0 502.014 1.998 20 0 KDADRM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000514298214 1066241663 /nfs/dbraw/zinc/24/16/63/1066241663.db2.gz XBGUTDLKDKXEHW-UHFFFAOYSA-N -1 0 517.651 1.921 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C(=O)OC)c1C ZINC000514301239 1066250920 /nfs/dbraw/zinc/25/09/20/1066250920.db2.gz YNYYKARZGIJJAL-AWEZNQCLSA-N -1 0 593.727 1.624 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C(=O)OC)c1C ZINC000514301240 1066250952 /nfs/dbraw/zinc/25/09/52/1066250952.db2.gz YNYYKARZGIJJAL-CQSZACIVSA-N -1 0 593.727 1.624 20 0 KDADRM COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000514302700 1066256565 /nfs/dbraw/zinc/25/65/65/1066256565.db2.gz QMDGMPQQDNUJFA-KRWDZBQOSA-N -1 0 531.678 1.975 20 0 KDADRM COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000514302701 1066256724 /nfs/dbraw/zinc/25/67/24/1066256724.db2.gz QMDGMPQQDNUJFA-QGZVFWFLSA-N -1 0 531.678 1.975 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c(C(=O)OC)c1C ZINC000514303580 1066258424 /nfs/dbraw/zinc/25/84/24/1066258424.db2.gz XDRVYZGCXNAUIM-DLBZAZTESA-N -1 0 586.710 1.930 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N[C@H](Cc2ccccc2)C(=O)OC)c(C(=O)OC)c1C ZINC000514303581 1066258587 /nfs/dbraw/zinc/25/85/87/1066258587.db2.gz XDRVYZGCXNAUIM-IAGOWNOFSA-N -1 0 586.710 1.930 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c(C(=O)OC)c1C ZINC000514303582 1066258544 /nfs/dbraw/zinc/25/85/44/1066258544.db2.gz XDRVYZGCXNAUIM-IRXDYDNUSA-N -1 0 586.710 1.930 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c(C(=O)OC)c1C ZINC000514303584 1066258342 /nfs/dbraw/zinc/25/83/42/1066258342.db2.gz XDRVYZGCXNAUIM-SJORKVTESA-N -1 0 586.710 1.930 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000514304747 1066259048 /nfs/dbraw/zinc/25/90/48/1066259048.db2.gz YKIZTGHCKTXWOS-UHFFFAOYSA-N -1 0 546.693 1.263 20 0 KDADRM O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514380149 1066278041 /nfs/dbraw/zinc/27/80/41/1066278041.db2.gz GKJPNRAZBMOXOZ-UHFFFAOYSA-N -1 0 566.079 1.183 20 0 KDADRM CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000514380321 1066276985 /nfs/dbraw/zinc/27/69/85/1066276985.db2.gz HYANIFIEOVRCIL-UHFFFAOYSA-N -1 0 547.677 1.546 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)NCCCn2ccnc2)c(C(=O)OC)c1C ZINC000514380608 1066265824 /nfs/dbraw/zinc/26/58/24/1066265824.db2.gz OBWGWFRCBXSMAS-AWEZNQCLSA-N -1 0 532.666 1.433 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)NCCCn2ccnc2)c(C(=O)OC)c1C ZINC000514380609 1066265983 /nfs/dbraw/zinc/26/59/83/1066265983.db2.gz OBWGWFRCBXSMAS-CQSZACIVSA-N -1 0 532.666 1.433 20 0 KDADRM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000514380731 1066266041 /nfs/dbraw/zinc/26/60/41/1066266041.db2.gz OJOKDOFKFTWLOV-UHFFFAOYSA-N -1 0 513.594 1.874 20 0 KDADRM CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000514381069 1066263574 /nfs/dbraw/zinc/26/35/74/1066263574.db2.gz VYZMCAZHSPSQDY-UHFFFAOYSA-N -1 0 503.624 1.195 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000514381171 1066263956 /nfs/dbraw/zinc/26/39/56/1066263956.db2.gz ZZJURIBRFYXYMF-UHFFFAOYSA-N -1 0 535.641 1.678 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000514382660 1066283381 /nfs/dbraw/zinc/28/33/81/1066283381.db2.gz URLBSBDAKXBQCQ-UHFFFAOYSA-N -1 0 509.610 1.936 20 0 KDADRM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000514384010 1066285754 /nfs/dbraw/zinc/28/57/54/1066285754.db2.gz IZEGXLTXYMXCCW-UHFFFAOYSA-N -1 0 517.651 1.587 20 0 KDADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000514385633 1066292916 /nfs/dbraw/zinc/29/29/16/1066292916.db2.gz ORYDXUNRTUQOPA-IBGZPJMESA-N -1 0 523.633 1.570 20 0 KDADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000514385634 1066292864 /nfs/dbraw/zinc/29/28/64/1066292864.db2.gz ORYDXUNRTUQOPA-LJQANCHMSA-N -1 0 523.633 1.570 20 0 KDADRM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(CNC(C)=O)s3)cc2)C1 ZINC000514387368 1066294038 /nfs/dbraw/zinc/29/40/38/1066294038.db2.gz FFQLFQZXPLHBSL-HNNXBMFYSA-N -1 0 515.635 1.759 20 0 KDADRM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(CNC(C)=O)s3)cc2)C1 ZINC000514387369 1066294150 /nfs/dbraw/zinc/29/41/50/1066294150.db2.gz FFQLFQZXPLHBSL-OAHLLOKOSA-N -1 0 515.635 1.759 20 0 KDADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000514387944 1066299970 /nfs/dbraw/zinc/29/99/70/1066299970.db2.gz KCAHQINEOUMVFB-UHFFFAOYSA-N -1 0 512.532 1.800 20 0 KDADRM CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514388072 1066299444 /nfs/dbraw/zinc/29/94/44/1066299444.db2.gz OMGWSYZRBPBYHL-UHFFFAOYSA-N -1 0 547.677 1.546 20 0 KDADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1 ZINC000514388097 1066299279 /nfs/dbraw/zinc/29/92/79/1066299279.db2.gz OSXVMHSBUIFWOC-GOSISDBHSA-N -1 0 539.632 1.886 20 0 KDADRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1 ZINC000514388099 1066299402 /nfs/dbraw/zinc/29/94/02/1066299402.db2.gz OSXVMHSBUIFWOC-SFHVURJKSA-N -1 0 539.632 1.886 20 0 KDADRM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000514388234 1066298317 /nfs/dbraw/zinc/29/83/17/1066298317.db2.gz MCAMKZXQBZEKSF-UHFFFAOYSA-N -1 0 532.666 1.002 20 0 KDADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC000514388251 1066298155 /nfs/dbraw/zinc/29/81/55/1066298155.db2.gz MMSMJDNEBHIOIC-UHFFFAOYSA-N -1 0 542.588 1.480 20 0 KDADRM COCCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CC1 ZINC000514388329 1066298372 /nfs/dbraw/zinc/29/83/72/1066298372.db2.gz ONPKZVPVAKUVGB-UHFFFAOYSA-N -1 0 569.478 1.779 20 0 KDADRM CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514388529 1066304283 /nfs/dbraw/zinc/30/42/83/1066304283.db2.gz WANSRVCDSIJXTK-UHFFFAOYSA-N -1 0 532.666 1.190 20 0 KDADRM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000514388854 1066303663 /nfs/dbraw/zinc/30/36/63/1066303663.db2.gz TYNMLYPPJCYKAK-GOSISDBHSA-N -1 0 571.699 1.846 20 0 KDADRM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000514388855 1066303911 /nfs/dbraw/zinc/30/39/11/1066303911.db2.gz TYNMLYPPJCYKAK-SFHVURJKSA-N -1 0 571.699 1.846 20 0 KDADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1F ZINC000514389197 1066302644 /nfs/dbraw/zinc/30/26/44/1066302644.db2.gz BUOKVGCUXSQFHY-UHFFFAOYSA-N -1 0 518.567 1.078 20 0 KDADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000514389203 1066302723 /nfs/dbraw/zinc/30/27/23/1066302723.db2.gz BZPFCVAWUIJIAS-UHFFFAOYSA-N -1 0 546.646 1.940 20 0 KDADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000514390669 1066310120 /nfs/dbraw/zinc/31/01/20/1066310120.db2.gz SNICJSJGYWKFSR-UHFFFAOYSA-N -1 0 551.021 1.293 20 0 KDADRM O=C(C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1)N1CCOCC1 ZINC000514390776 1066309420 /nfs/dbraw/zinc/30/94/20/1066309420.db2.gz VANXBAVSMARACB-UHFFFAOYSA-N -1 0 554.547 1.649 20 0 KDADRM Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c(C)c1 ZINC000514390789 1066309122 /nfs/dbraw/zinc/30/91/22/1066309122.db2.gz CCPFZPIFYHVJJC-UHFFFAOYSA-N -1 0 511.622 1.645 20 0 KDADRM COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1S(=O)(=O)N1CCOCC1 ZINC000514390813 1066309316 /nfs/dbraw/zinc/30/93/16/1066309316.db2.gz WEEAHLSRXASUNL-UHFFFAOYSA-N -1 0 525.605 1.459 20 0 KDADRM NC(=O)c1cc(N2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514390886 1066309154 /nfs/dbraw/zinc/30/91/54/1066309154.db2.gz AKRCMMQUWMKBNV-UHFFFAOYSA-N -1 0 508.622 1.598 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2ccncc2)c(C(=O)OC)c1C ZINC000514391002 1066308516 /nfs/dbraw/zinc/30/85/16/1066308516.db2.gz XOAFBRBDUOVVCR-CYBMUJFWSA-N -1 0 501.608 1.485 20 0 KDADRM COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2ccncc2)c(C(=O)OC)c1C ZINC000514391005 1066308575 /nfs/dbraw/zinc/30/85/75/1066308575.db2.gz XOAFBRBDUOVVCR-ZDUSSCGKSA-N -1 0 501.608 1.485 20 0 KDADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000514391704 1066328776 /nfs/dbraw/zinc/32/87/76/1066328776.db2.gz PKNHMTJFCHJYST-UHFFFAOYSA-N -1 0 510.590 1.996 20 0 KDADRM CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000514392156 1066312805 /nfs/dbraw/zinc/31/28/05/1066312805.db2.gz RNRVYJRCXXCCEW-UHFFFAOYSA-N -1 0 560.720 1.971 20 0 KDADRM CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000514392203 1066312780 /nfs/dbraw/zinc/31/27/80/1066312780.db2.gz SIIJOWBBNKAJLU-UHFFFAOYSA-N -1 0 504.656 1.987 20 0 KDADRM CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000514392218 1066312939 /nfs/dbraw/zinc/31/29/39/1066312939.db2.gz SNDJAPCAKIKKKU-UHFFFAOYSA-N -1 0 560.720 1.971 20 0 KDADRM COc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000514392833 1066331410 /nfs/dbraw/zinc/33/14/10/1066331410.db2.gz DNTFPGBAVBACLQ-UHFFFAOYSA-N -1 0 581.489 1.875 20 0 KDADRM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)c1 ZINC000514393941 1066334033 /nfs/dbraw/zinc/33/40/33/1066334033.db2.gz CBLZJYLFOSCVJF-GOSISDBHSA-N -1 0 539.632 1.886 20 0 KDADRM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)c1 ZINC000514393942 1066334165 /nfs/dbraw/zinc/33/41/65/1066334165.db2.gz CBLZJYLFOSCVJF-SFHVURJKSA-N -1 0 539.632 1.886 20 0 KDADRM O=C(CN1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn([O-])c4c3)c2)CC1)N1CCCCC1 ZINC000514394193 1066332452 /nfs/dbraw/zinc/33/24/52/1066332452.db2.gz IGUQAKRGBRUKRI-UHFFFAOYSA-N -1 0 527.607 1.240 20 0 KDADRM COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1 ZINC000514394748 1066337361 /nfs/dbraw/zinc/33/73/61/1066337361.db2.gz RMELPYVKAKFSTM-INIZCTEOSA-N -1 0 557.672 1.502 20 0 KDADRM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1 ZINC000514394749 1066337642 /nfs/dbraw/zinc/33/76/42/1066337642.db2.gz RMELPYVKAKFSTM-MRXNPFEDSA-N -1 0 557.672 1.502 20 0 KDADRM CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000514394813 1066337119 /nfs/dbraw/zinc/33/71/19/1066337119.db2.gz TWZUXIONBIJHGK-UHFFFAOYSA-N -1 0 559.688 1.736 20 0 KDADRM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000514401645 1066321914 /nfs/dbraw/zinc/32/19/14/1066321914.db2.gz AYIHCMHSOYNKCZ-UHFFFAOYSA-N -1 0 504.608 1.311 20 0 KDADRM COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000514402205 1066320723 /nfs/dbraw/zinc/32/07/23/1066320723.db2.gz LOJMMLLOLKAQQF-AWEZNQCLSA-N -1 0 503.624 1.241 20 0 KDADRM COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000514402206 1066320637 /nfs/dbraw/zinc/32/06/37/1066320637.db2.gz LOJMMLLOLKAQQF-CQSZACIVSA-N -1 0 503.624 1.241 20 0 KDADRM COC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000514403161 1066323109 /nfs/dbraw/zinc/32/31/09/1066323109.db2.gz WFGMNCNDILEXOR-UHFFFAOYSA-N -1 0 531.634 1.113 20 0 KDADRM O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000514403194 1066323529 /nfs/dbraw/zinc/32/35/29/1066323529.db2.gz WTYGNEOKNJFUFR-UHFFFAOYSA-N -1 0 545.661 1.389 20 0 KDADRM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000514404353 1066325945 /nfs/dbraw/zinc/32/59/45/1066325945.db2.gz DPDNBNZSWVHNBH-UHFFFAOYSA-N -1 0 517.651 1.921 20 0 KDADRM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000514404405 1066341640 /nfs/dbraw/zinc/34/16/40/1066341640.db2.gz GGNCHOKVTJCJOR-UHFFFAOYSA-N -1 0 504.608 1.311 20 0 KDADRM CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000514405451 1066341929 /nfs/dbraw/zinc/34/19/29/1066341929.db2.gz WPUOJMLMBKCYAJ-UHFFFAOYSA-N -1 0 562.644 1.850 20 0 KDADRM CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1)n2C ZINC000746459648 1066356172 /nfs/dbraw/zinc/35/61/72/1066356172.db2.gz KPESSGPWBFLFDR-UHFFFAOYSA-N -1 0 500.002 1.451 20 0 KDADRM CCN=c1nc2[n-]nc(SCC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)n2c(NCC)n1 ZINC000917503822 1066351262 /nfs/dbraw/zinc/35/12/62/1066351262.db2.gz IQECZNLEXYEFRM-UHFFFAOYSA-N -1 0 500.010 1.561 20 0 KDADRM CSC[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)CCc2ccc(Cl)cc2)[C@H](O)[C@@H]1O ZINC001189072687 1066395574 /nfs/dbraw/zinc/39/55/74/1066395574.db2.gz AZYAILQLTMMSCG-NVQRDWNXSA-N -1 0 500.002 1.446 20 0 KDADRM CSC[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)c2cc(C)c(Cl)cc2C)[C@H](O)[C@@H]1O ZINC001256140335 1066418951 /nfs/dbraw/zinc/41/89/51/1066418951.db2.gz KYCAZINEXIJNPF-BGIGGGFGSA-N -1 0 500.002 1.880 20 0 KDADRM